4-(4-methoxyphenyl)-1-(1-methyltriazol-4-yl)butan-2-amine

C14H20N4O — CID 107063897

IUPAC4-(4-methoxyphenyl)-1-(1-methyltriazol-4-yl)butan-2-amine
SMILESCOc1ccc(CCC(N)Cc2cn(C)nn2)cc1
InChIInChI=1S/C14H20N4O/c1-18-10-13(16-17-18)9-12(15)6-3-11-4-7-14(19-2)8-5-11/h4-5,7-8,10,12H,3,6,9,15H2,1-2H3
InChIKeySQJZYJBWLHORJY-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.33
Rot. Bonds6

About 4-(4-methoxyphenyl)-1-(1-methyltriazol-4-yl)butan-2-amine

4-(4-methoxyphenyl)-1-(1-methyltriazol-4-yl)butan-2-amine (PubChem CID 107063897) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-1-(1-methyltriazol-4-yl)butan-2-amine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-1-(1-methyltriazol-4-yl)butan-2-amine
PubChem CID107063897
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name4-(4-methoxyphenyl)-1-(1-methyltriazol-4-yl)butan-2-amine
SMILESCOc1ccc(CCC(N)Cc2cn(C)nn2)cc1
InChIInChI=1S/C14H20N4O/c1-18-10-13(16-17-18)9-12(15)6-3-11-4-7-14(19-2)8-5-11/h4-5,7-8,10,12H,3,6,9,15H2,1-2H3
InChIKeySQJZYJBWLHORJY-UHFFFAOYSA-N
XLogP1.33
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-methoxyphenyl)-N-methyl-1-(1-methyltriazol-4-yl)butan-2-amine
CID 107063943
1-(4-methoxyphenyl)-2-(1-methyltriazol-4-yl)ethanamine
CID 107048287
2-[(4-methoxyphenyl)methyl]-3-(1-methyltriazol-4-yl)propan-1-amine
CID 107052817
1-(4-methoxyphenyl)-3-(1-methyltriazol-4-yl)propan-2-ol
CID 107047720
[1-(4-methoxyphenyl)-2-(1-methyltriazol-4-yl)ethyl]hydrazine
CID 107065873
1-(4-ethylphenyl)-4-(4-methoxyphenyl)butan-2-amine
CID 115803356
1-(2,4-dimethoxyphenyl)-2-(1-methyltriazol-4-yl)ethanamine
CID 107063932
2-amino-3-(1-methyltriazol-4-yl)propan-1-ol
CID 107055170
1-(4-methoxyphenyl)-5-(2-methylpyrazol-3-yl)pentan-3-amine
CID 103030537
4-(4-methoxyphenyl)-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine
CID 105003135
5-methoxy-1-(4-methoxyphenyl)hexan-3-amine
CID 113391349
3-(4-methoxyphenyl)-1-(1-methylpyrazol-4-yl)propan-1-amine
CID 43124177

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-1-(1-methyltriazol-4-yl)butan-2-amine?
The IUPAC name of 4-(4-methoxyphenyl)-1-(1-methyltriazol-4-yl)butan-2-amine (CID 107063897) is 4-(4-methoxyphenyl)-1-(1-methyltriazol-4-yl)butan-2-amine.
What is the SMILES notation for 4-(4-methoxyphenyl)-1-(1-methyltriazol-4-yl)butan-2-amine?
The canonical SMILES for 4-(4-methoxyphenyl)-1-(1-methyltriazol-4-yl)butan-2-amine is COc1ccc(CCC(N)Cc2cn(C)nn2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-1-(1-methyltriazol-4-yl)butan-2-amine?
The InChIKey is SQJZYJBWLHORJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-18-10-13(16-17-18)9-12(15)6-3-11-4-7-14(19-2)8-5-11/h4-5,7-8,10,12H,3,6,9,15H2,1-2H3.
What are the key properties of 4-(4-methoxyphenyl)-1-(1-methyltriazol-4-yl)butan-2-amine?
4-(4-methoxyphenyl)-1-(1-methyltriazol-4-yl)butan-2-amine has a molecular weight of 260.34 g/mol, XLogP of 1.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-1-(1-methyltriazol-4-yl)butan-2-amine is sourced from PubChem (CID 107063897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).